Didecyldimethylammonium bromide(2390-68-3) 13C NMR
Product NameDidecyldimethylammonium bromide
CAS2390-68-3
Molecular FormulaC22H48BrN
Molecular Weight406.53
InChIInChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey UMGXUWVIJIQANV-UHFFFAOYSA-M
SmilesC(CCCCCCCCC)[N+](C)(C)CCCCCCCCCC.[Br-]
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MassMS-IW-7582 didecyldimethylammonium bromide C22H48BrN (Mass of molecular ion: 405)
Source Temperature: 180 °C Sample Temperature: 220 °C Direct, 75 eV
15.0 1.8 18.0 4.7 27.0 1.1 28.0 1.4 29.0 2.3 39.0 1.0 41.0 5.6 42.0 3.2 43.0 9.3 44.0 9.4 55.0 6.1 56.0 2.4 57.0 8.4 58.0 38.9 59.0 1.5 69.0 3.6 70.0 3.4 71.0 3.1 83.0 1.8 84.0 3.4 85.0 2.2 93.0 1.1 94.0 6.7 96.0 6.3 97.0 1.1 98.0 1.3 135.0 3.9 137.0 3.8 170.0 1.5 182.0 5.8 183.0 1.0 184.0 100.0 185.0 14.7 186.0 1.0 210.0 7.2 211.0 1.2 236.0 2.0 310.0 1.9 311.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C22 H48 Br N 0.042 g : 0.5 ml CDCl3 didecyldimethylammonium bromide 
Assign. Shift(ppm)
A 3.528 B 3.404 C 1.710 D 1.36 E 1.30 F 1.26 G 0.880
Hz ppm Int.1418.82 3.551 118 1413.70 3.538 84 1410.28 3.529 101 1406.74 3.520 84 1401.73 3.508 128 1360.72 3.405 830 690.80 1.729 62 689.94 1.727 61 684.08 1.712 85 676.27 1.693 71 675.90 1.692 71 667.72 1.671 33 543.46 1.360 184 533.69 1.336 82 526.37 1.318 95 524.54 1.313 87 518.92 1.299 150 503.54 1.260 1000 359.01 0.899 233 352.29 0.882 721 345.21 0.864 292
in CDCl3
KBr disc
nujol mull
